tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate

C11H21NO2 — CID 162343214

IUPACtert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
SMILESC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(8)12-10(13)14-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyGISXLZSEYIUGFI-DTWKUNHWSA-N
MW199.29 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate

tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate (PubChem CID 162343214) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
PubChem CID162343214
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
SMILESC[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(8)12-10(13)14-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyGISXLZSEYIUGFI-DTWKUNHWSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716
ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate (CID 162343214) is tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate is C[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate?
The InChIKey is GISXLZSEYIUGFI-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-5-7-9(8)12-10(13)14-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate?
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate is sourced from PubChem (CID 162343214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).